(1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol

PubChem CID: 102341605

Connections displayed (default: 10).

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Topological Polar Surface Area	157.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	42.0
Isotope Atom Count	0.0
Molecular Complexity	774.0
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol
Prediction Hob	0.0
Xlogp	2.2
Molecular Formula	C31H38O11
Prediction Swissadme	0.0
Inchi Key	DGPBJIHDSVVJQC-AOLGVVFKSA-N
Fcsp3	0.4193548387096774
Logs	-4.365
Rotatable Bond Count	14.0
Logd	1.973
Compound Name	(1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol
Prediction Hob Swissadme	0.0
Exact Mass	586.241
Formal Charge	0.0
Monoisotopic Mass	586.241
Hydrogen Bond Acceptor Count	11.0
Molecular Weight	586.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Esol	-4.27517365714286
Inchi	InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27-,28+,29-/m0/s1
Smiles	COC1=CC(=CC2=C1O[C@H]([C@H]2CO)C3=CC(=C(C(=C3)OC)O[C@@H](CO)[C@@H](C4=CC(=C(C=C4)O)OC)O)OC)CCCO
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Epimedium Wushanense (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Hymenocallis Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Scopolia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients

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